1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

C18H22FNO — CID 81267976

IUPAC1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1ccc(F)cc1C
InChIInChI=1S/C18H22FNO/c1-12-5-8-18(21-4)14(9-12)11-17(20-3)16-7-6-15(19)10-13(16)2/h5-10,17,20H,11H2,1-4H3
InChIKeyTVHYQLBEZNARAI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 81267976) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID81267976
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1ccc(F)cc1C
InChIInChI=1S/C18H22FNO/c1-12-5-8-18(21-4)14(9-12)11-17(20-3)16-7-6-15(19)10-13(16)2/h5-10,17,20H,11H2,1-4H3
InChIKeyTVHYQLBEZNARAI-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863
1-(2-chloro-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826207
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
4-fluoro-2-[1-hydrazinyl-2-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 105263260
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43485624
1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
2-(5-bromo-2-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63419933
1-(4-methoxy-2-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43482757

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 81267976) is 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1OC)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is TVHYQLBEZNARAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-5-8-18(21-4)14(9-12)11-17(20-3)16-7-6-15(19)10-13(16)2/h5-10,17,20H,11H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 81267976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).